Diethyl Ether → Methanesulfonic Acid

HRID 1218497Notes

Reaction equation

HRID 1218497 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][C:9]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:10][C:11]2=[O:12])[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51]([OH:52])(=[O:53])=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][C:9]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:10][C:11]2=[O:12])[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51](=[O:52])(=[O:53])[OH:54]

Participants

6

Reactant 4

HCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 98528151-(3,4,5-trimethoxybenzyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(phenylmethyl)-5-oxopyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98528151-(3,4,5-trimethoxybenzyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(phenylmethyl)-5-oxopyrrolidine

Sources & evidence

ORD record
ord-53ca0d18ae9b460c961c5ebba8296597
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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